| SpectraBase Compound ID | C9VhW2RjJo0 |
|---|---|
| InChI | InChI=1S/C31H50O6/c1-17-10-13-31(26(36)37-7)15-14-28(4)19(22(31)18(17)2)8-9-21-29(28,5)12-11-20-27(3,16-32)24(34)23(33)25(35)30(20,21)6/h8,17-18,20-25,32-35H,9-16H2,1-7H3/t17-,18+,20+,21+,22+,23+,24+,25-,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | MGGUDVUEXOXEHB-JLIYSGLOSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C31H50O6 |
| Exact Mass | 518.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEy0j9IoBGh |
|---|---|
| Name | MUCUNAGENIN-B;METHYL-1-BETA,2-ALPHA,3-BETA,23-TETRAHYDROXY-URS-12-EN-28-OATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O6 |
| InChI | InChI=1S/C31H50O6/c1-17-10-13-31(26(36)37-7)15-14-28(4)19(22(31)18(17)2)8-9-21-29(28,5)12-11-20-27(3,16-32)24(34)23(33)25(35)30(20,21)6/h8,17-18,20-25,32-35H,9-16H2,1-7H3/t17-,18+,20+,21+,22+,23+,24+,25-,27+,28-,29-,30+,31+/m1/s1 |
| InChIKey | MGGUDVUEXOXEHB-JLIYSGLOSA-N |
| Literature Reference Author | Y.DING,J.KINJO,C.R.YANG,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,30,3703(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)80094-H |
| Molecular Weight | 518.734 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS27213 |